Cassythicine
TL;DR: Cassythicine (CAS 5890-28-8) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
Also Known As: Cassythicine, (+)-Cassythicine, (+)-sythicine, N-Methylactinodaphnine, (+)-N-Methylactinodaphnine
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 5890-28-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)O)OCO3 |
| InChIKey | MPWZJVCAMFAIGV-ZDUSSCGKSA-N |
Product Overview
Cassythicine (CAS 5890-28-8), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol.
Chemical Property Profile of Cassythicine
Property Insights of Cassythicine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cassythicine. With a topological polar surface area (TPSA) of 51.2 Ų, Cassythicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cassythicine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cassythicine?
The CAS number of Cassythicine is 5890-28-8.
What is the molecular formula of Cassythicine?
The molecular formula of Cassythicine is C19H19NO4.
What is the molecular weight of Cassythicine?
The molecular weight of Cassythicine is 325.13 g/mol.
Where can I buy Cassythicine?
You can request a quote for Cassythicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cassythicine?
Yes, KEHONG BIO provides custom synthesis services for Cassythicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.